2-[(4-methyl-1,4-diazepan-4-ium-1-yl)sulfonyl]ethanoate

Systemtic Name: 2-[(4-methyl-1,4-diazepan-4-ium-1-yl)sulfonyl]ethanoate Openeye Name: 2-[(4-methyl-1,4-diazepan-4-ium-1-yl)sulfonyl]acetate CAS Name: 2-[(4-methyl-1,4-diazepan-4-ium-1-yl)sulfonyl]acetate IUPAC Name: 2-[(4-methyl-1,4-diazepan-4-ium-1-yl)sulfonyl]acetate Traditional Name: 2-[(4-methyl-1,4-diazepan-4-ium-1-yl)sulfonyl]acetate Formula: C8H16N2O4S MolecularWeight: 236.28864

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)S(=O)(=O)CC(=O)[O-]

Isomeric SMILES

C[NH+]1CCCN(CC1)S(=O)(=O)CC(=O)[O-]

InChI

InChI=1S/C8H16N2O4S/c1-9-3-2-4-10(6-5-9)15(13,14)7-8(11)12/h2-7H2,1H3,(H,11,12)